3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]azetidin-1-ium

Systemtic Name: 3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]azetidin-1-ium Openeye Name: 3-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyl]azetidin-1-ium CAS Name: 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]azetidin-1-ium IUPAC Name: 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]azetidin-1-ium Traditional Name: 3-(3-bromo-4-ethoxy-5-methoxy-benzyl)azetidin-1-ium Formula: C13H19BrNO2+ MolecularWeight: 301.19946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CC2C[NH2+]C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CC2C[NH2+]C2)OC

InChI

InChI=1S/C13H18BrNO2/c1-3-17-13-11(14)5-9(6-12(13)16-2)4-10-7-15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3/p+1